5-formyl-3-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide

C9H8F3NO2S — CID 86658035

IUPAC5-formyl-3-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESCc1cc(C=O)sc1C(=O)NCC(F)(F)F
InChIInChI=1S/C9H8F3NO2S/c1-5-2-6(3-14)16-7(5)8(15)13-4-9(10,11)12/h2-3H,4H2,1H3,(H,13,15)
InChIKeyFHBJVXRTDCIZMU-UHFFFAOYSA-N
MW251.23 g/mol
LogP2.16
Rot. Bonds3

About 5-formyl-3-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide

5-formyl-3-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (PubChem CID 86658035) has the molecular formula C9H8F3NO2S and a molecular weight of 251.23 g/mol. Its IUPAC name is 5-formyl-3-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-formyl-3-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
PubChem CID86658035
Molecular FormulaC9H8F3NO2S
Molecular Weight251.23 g/mol
Exact Mass251.02
IUPAC Name5-formyl-3-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESCc1cc(C=O)sc1C(=O)NCC(F)(F)F
InChIInChI=1S/C9H8F3NO2S/c1-5-2-6(3-14)16-7(5)8(15)13-4-9(10,11)12/h2-3H,4H2,1H3,(H,13,15)
InChIKeyFHBJVXRTDCIZMU-UHFFFAOYSA-N
XLogP2.16
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.23
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-formyl-3-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The IUPAC name of 5-formyl-3-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (CID 86658035) is 5-formyl-3-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-formyl-3-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-formyl-3-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is Cc1cc(C=O)sc1C(=O)NCC(F)(F)F.
What is the InChIKey of 5-formyl-3-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The InChIKey is FHBJVXRTDCIZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO2S/c1-5-2-6(3-14)16-7(5)8(15)13-4-9(10,11)12/h2-3H,4H2,1H3,(H,13,15).
What are the key properties of 5-formyl-3-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
5-formyl-3-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide has a molecular weight of 251.23 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-formyl-3-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is sourced from PubChem (CID 86658035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).